8017-2886 Screening compound: 7-bromo-4-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

8017-2886 Screening compound: 7-bromo-4-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
8017-2886 Screening compound: 7-bromo-4-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2886
7-bromo-4-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8017-2886

Molecular Formula

C10H9BrN2O2 (C10 H9 BrN2 O2)

Compound Name

7-bromo-4-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

IUPAC name

7-bromo-4-methyl-2345-tetrahydro-1H-14-benzodiazepine-25-dione

SMILES

CN(CC(Nc(cc1)c2cc1Br)=O)C2=O

InChI

InChI=1S/C10H9BrN2O2/c1-13-5-9(14)12-8-3-2-6(11)4-7(8)10(13)15/h2-4H,5H2,1H3,(H,12,14)

InChI Key

KKJBJTGEGMJZCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06015648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.1

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.288

Distribution Coefficient, logD

0.636

Water Solubility, LogSw

-2.49

Polar Surface Area

41.737

Acid Dissociation Constant (pKa)

6.86

Base Dissociation Constant (pKb)

-0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8017-2886 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Akt-Targeted Library (14764 compounds)

Epigenetics Focused Set (26518 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic
  • Epigenetic

References: we are preparing a list of scientific research reports with 8017-2886 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-2886?
Check Price and Availability of 8017-2886, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8017-2886 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2886
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2886
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8017-2886 available by request